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Ellagic acid deoxyhexoside

C20H16O12 448.3 g/mol
H O O H O H
Name Ellagic acid deoxyhexoside
Alternative name Eschweilenol C
Formula C20H16O12
Formula Weight 448.30 g/mol
Molecular Weight 448.30 g/mol
Monoisotopic Mass 448.064000 g/mol
InChI Key NLOYJHDXNPMFKW-RGYXEVLJSA-N
IUPAC 6,7,14-trihydroxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
SMILES OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
Food Berry
Food Source Strawberry
Family Phenolic
Class Tannin
Subclass Group Hydrolyzable tannin
Subclass Ellagitannin
Metabolite Valerolactone metabolite
CASNO No CAS
HMDB HMDB0259139
PubChem 10026656
KEGG C03582
FooDB FDB031212
DrugBank DB02709
ChEBI 45713
BioCyc CPD-83
METLIN 7044.0